SCHEMBL3712957

SCHEMBL3712957

O=CCc1cc([N+](=O)[O-])c(Sc2c(Cl)cccc2Cl)s1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 20/20 0.58
USP47 Q96K76 13/20 0.58
PADI4 Q9UM07 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3715754 0.87 USP7 (0.72) USP7USP47PADI4
SCHEMBL3716798 0.86 USP7 (0.59) USP7USP47
SCHEMBL3716279 0.86 USP7 (0.59) USP7USP47
SCHEMBL3719652 0.83 USP7 (0.60) USP7USP47PADI4
SCHEMBL3717084 0.81 USP7 (0.46) USP7USP47PADI4
SCHEMBL3716051 0.81 USP7 (0.42) USP7USP47PADI4
SCHEMBL3715750 0.81 USP7 (0.57) USP7USP47PADI4
SCHEMBL3717157 0.81 USP7 (0.69) USP7USP47PADI4
SCHEMBL3712491 0.80 USP7 (0.56) USP7USP47PADI4
SCHEMBL3716037 0.79 USP7 (0.37) USP7USP47PADI4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010114881-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA INC. (US) 2010-10-07 WO claimed
WO-2010114881-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA INC. (US) 2010-10-07 WO disclosed